UCSF

ZINC61235452

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2011 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.28 1.1 -56.67 3 6 1 69 271.385 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )